CID 135532295

Pobn

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

CC(C)(C)/[N+](=C/C1=CC=[N+](C=C1)[O-])/[O-]

InChI

InChI=1S/C10H14N2O2/c1-10(2,3)12(14)8-9-4-6-11(13)7-5-9/h4-8H,1-3H3/b12-8-

InChIKey

RNRMWTCECDHNQU-WQLSENKSSA-N

Compound name

N-tert-butyl-1-(1-oxidopyridin-1-ium-4-yl)methanimine oxide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 134
References: 445
Patents: 194.10553 Da
Monoisotopic Mass: -0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	195.112806	145.6
[M+Na]+	217.094748	152.4
[M-H]-	193.098254	147.1
[M+NH4]+	212.139353	162.1
[M+K]+	233.068688	141.6
[M+H-H2O]+	177.102790	149.1
[M+HCOO]-	239.103731	166.8
[M+CH3COO]-	253.119381	170.5
[M+Na-2H]-	215.080196	155.8
[M]+	194.10498142	141.3
[M]-	194.10607858	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe